rel-(4R,7S)-2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 8006-8158 |
Compound Name: | rel-(4R,7S)-2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
Molecular Weight: | 269.3 |
Molecular Formula: | C16 H15 N O3 |
Smiles: | Cc1ccc(C)c(c1)N1C(C2C(C1=O)[C@H]1C=C[C@@H]2O1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.9169 |
logD: | 1.9169 |
logSw: | -2.1773 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 37.203 |
InChI Key: | BDFXNRUFFVMUNB-UHFFFAOYSA-N |